N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide

C12H16N2O4 — CID 662254

IUPACN-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(=O)oc1
InChIInChI=1S/C12H16N2O4/c15-11-2-1-10(9-18-11)12(16)13-3-4-14-5-7-17-8-6-14/h1-2,9H,3-8H2,(H,13,16)
InChIKeyGNTRTSSCLSZLOA-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide

N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide (PubChem CID 662254) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
PubChem CID662254
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(=O)oc1
InChIInChI=1S/C12H16N2O4/c15-11-2-1-10(9-18-11)12(16)13-3-4-14-5-7-17-8-6-14/h1-2,9H,3-8H2,(H,13,16)
InChIKeyGNTRTSSCLSZLOA-UHFFFAOYSA-N
XLogP-0.30
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide (CID 662254) is N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc(=O)oc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
The InChIKey is GNTRTSSCLSZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11-2-1-10(9-18-11)12(16)13-3-4-14-5-7-17-8-6-14/h1-2,9H,3-8H2,(H,13,16).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 662254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).